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m-Tolualdehyde

View entire compound with spectra: 16 NMR, 7 FTIR, and 12 MS (GC)

m-Tolualdehyde
SpectraBase Compound ID ADLRWAbNJ9s
InChI InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
InChIKey OVWYEQOVUDKZNU-UHFFFAOYSA-N
Mol Weight 120.15 g/mol
Molecular Formula C8H8O
Exact Mass 120.057515 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LDsdidV2EcN
Name m-Tolualdehyde
Acquisition Mode SIMULTANEOUS
CAS Registry Number 620-23-5
Comments Saturated m-tolualdehyde - Sigma-Aldrich Solvent CDCl3, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C8 H8 O
IUPAC Name 3-methylbenzaldehyde
InChI InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3
InChIKey OVWYEQOVUDKZNU-UHFFFAOYSA-N
PubChem Compound ID 12105
SMILES CC1=CC=CC(=C1)C=O
Source File Reference bmse000552